HRID136901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID4837

Piperazine

C4H10N2

HCID521008

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3O

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID23081170

1-[4-(Trifluoromethoxy)phenyl]piperazine

C11H13F3N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6b47cbca5cb460c8d657336c4b94048
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:7][C:8]([CH3:9])([O-:10])[CH3:11].[F:59][C:60]([O:61][c:62]1[cH:63][cH:64][c:65]([Br:68])[cH:66][cH:67]1)([F:69])[F:70].[Na+:12].[cH:13]1[cH:14][cH:15][c:16]([P:17]([c:18]2[cH:19][cH:20][c:21]3[c:22]([cH:23][cH:24][cH:25][cH:26]3)[c:27]2-[c:28]2[c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[cH:35][cH:36][c:37]2[P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58]1>>[CH2:1]1[CH2:2][N:3]([c:65]2[cH:64][cH:63][c:62]([O:61][C:60]([F:59])([F:69])[F:70])[cH:67][cH:66]2)[CH2:4][CH2:5][NH:6]1